(Z)-2,3-bis(2-prop-2-enoxyethyl)but-2-enedioic acid

C14H20O6 — CID 87907492

IUPAC(Z)-2,3-bis(2-prop-2-enoxyethyl)but-2-enedioic acid
SMILESC=CCOCC/C(C(=O)O)=C(\CCOCC=C)C(=O)O
InChIInChI=1S/C14H20O6/c1-3-7-19-9-5-11(13(15)16)12(14(17)18)6-10-20-8-4-2/h3-4H,1-2,5-10H2,(H,15,16)(H,17,18)/b12-11-
InChIKeyXLWMBHHUJVBTSJ-QXMHVHEDSA-N
MW284.31 g/mol
LogP1.64
Rot. Bonds12

About (Z)-2,3-bis(2-prop-2-enoxyethyl)but-2-enedioic acid

(Z)-2,3-bis(2-prop-2-enoxyethyl)but-2-enedioic acid (PubChem CID 87907492) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is (Z)-2,3-bis(2-prop-2-enoxyethyl)but-2-enedioic acid.

Molecular Properties

Compound Name(Z)-2,3-bis(2-prop-2-enoxyethyl)but-2-enedioic acid
PubChem CID87907492
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name(Z)-2,3-bis(2-prop-2-enoxyethyl)but-2-enedioic acid
SMILESC=CCOCC/C(C(=O)O)=C(\CCOCC=C)C(=O)O
InChIInChI=1S/C14H20O6/c1-3-7-19-9-5-11(13(15)16)12(14(17)18)6-10-20-8-4-2/h3-4H,1-2,5-10H2,(H,15,16)(H,17,18)/b12-11-
InChIKeyXLWMBHHUJVBTSJ-QXMHVHEDSA-N
XLogP1.64
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

carbonic acid;3-(2-prop-2-enoxyethoxy)prop-1-ene
CID 88663194
3-(2-prop-2-enoxyethoxy)propanoic acid
CID 59615985
2-oxo-4-prop-2-enoxybutanal
CID 142662076
2,3-bis(2-prop-2-enoyloxyethyl)but-2-enedioic acid
CID 54300292
methyl 3-oxo-5-prop-2-enoxypentanoate
CID 11962008
N-tert-butyl-3-prop-2-enoxypropanamide
CID 59532832
carbonic acid;prop-1-ene;3-prop-2-enoxyprop-1-ene
CID 87667724
4-but-3-enoxy-2-methylidenebutanoic acid
CID 89346702
N-phenyl-3-prop-2-enoxypropanamide
CID 102196182
methyl 3-methyl-5-prop-2-enoxy-2-prop-2-enylpent-2-enoate
CID 174791611
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 58112303
(E)-2,3-bis(prop-2-enyl)but-2-enedioic acid
CID 87162043

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-bis(2-prop-2-enoxyethyl)but-2-enedioic acid?
The IUPAC name of (Z)-2,3-bis(2-prop-2-enoxyethyl)but-2-enedioic acid (CID 87907492) is (Z)-2,3-bis(2-prop-2-enoxyethyl)but-2-enedioic acid.
What is the SMILES notation for (Z)-2,3-bis(2-prop-2-enoxyethyl)but-2-enedioic acid?
The canonical SMILES for (Z)-2,3-bis(2-prop-2-enoxyethyl)but-2-enedioic acid is C=CCOCC/C(C(=O)O)=C(\CCOCC=C)C(=O)O.
What is the InChIKey of (Z)-2,3-bis(2-prop-2-enoxyethyl)but-2-enedioic acid?
The InChIKey is XLWMBHHUJVBTSJ-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H20O6/c1-3-7-19-9-5-11(13(15)16)12(14(17)18)6-10-20-8-4-2/h3-4H,1-2,5-10H2,(H,15,16)(H,17,18)/b12-11-.
What are the key properties of (Z)-2,3-bis(2-prop-2-enoxyethyl)but-2-enedioic acid?
(Z)-2,3-bis(2-prop-2-enoxyethyl)but-2-enedioic acid has a molecular weight of 284.31 g/mol, XLogP of 1.64, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-bis(2-prop-2-enoxyethyl)but-2-enedioic acid is sourced from PubChem (CID 87907492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).